Molecular formula
C9H10O3

SMILES
CC(=CC(=O)C=C1COC1=O)C

Fragrance
Sweet	77.31%
Mint	65.35%
Herbal	50.44%
Caramellic	47.05%
Tobacco	43.94%
Spicy	40.36%
Citrus	39.24%
Camphoreous	38.92%
Woody	33.79%
Tea	33.59%

 

Flavor
Bitter	26.67%
Basil	21.55%
Lovage	21.02%
Cotton candy	21.01%
Extremely sweet	20.87%
Maple syrup	20.84%
Fenugreek	20.83%
Seedy	20.63%
Leaves	20.5%
Heather	20.25%

 

Odor impact est.
Medium

XLogP3-AA
1.1

pKa est.
8.29 (weak base)

Molecular weight
166.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
289°C

Flash point

• 128.52 ˚C est.

3-(4-Methyl-2-oxopent-3-enylidene)oxetan-2-one is a specialty building block used in organic synthesis. In industry it serves as a fragrance intermediate for perfumery and personal care formulations; as a reactive monomer or intermediate in polymer and plastics production; as a crosslinking or functionalization agent in coatings and inks; and as a starting material for agrochemical and pharmaceutical intermediates. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	228.24
methanol	246.38
isopropanol	144.49
water	1.03
ethyl acetate	136.38
n-propanol	150.16
acetone	243.83
n-butanol	150.15
acetonitrile	210.19
DMF	526.91
toluene	52.64
isobutanol	100.6
1,4-dioxane	158.87
methyl acetate	174.17
THF	303.22
2-butanone	192.42
n-pentanol	99.53
sec-butanol	137.21
n-hexane	6.79
ethylene glycol	74.79
NMP	422.78
cyclohexane	4.91
DMSO	392.99
n-butyl acetate	95.74
n-octanol	47.02
chloroform	275.47
n-propyl acetate	97.59
acetic acid	271.81
dichloromethane	276.12
cyclohexanone	162.99
propylene glycol	104.4
isopropyl acetate	75.91
DMAc	362.16
2-ethoxyethanol	182.63
isopentanol	126.16
n-heptane	3.32
ethyl formate	123.61
1,2-dichloroethane	166.73
n-hexanol	90.97
2-methoxyethanol	327.32
isobutyl acetate	51.98
tetrachloromethane	22.55
n-pentyl acetate	50.34
transcutol	543.08
n-heptanol	37.48
ethylbenzene	39.59
MIBK	91.85
2-propoxyethanol	172.39
tert-butanol	167.32
MTBE	97.32
2-butoxyethanol	90.93
propionic acid	143.33
o-xylene	42.09
formic acid	187.83
diethyl ether	96.54
m-xylene	48.56
p-xylene	44.49
chlorobenzene	82.97
dimethyl carbonate	83.3
n-octane	1.36
formamide	299.94
cyclopentanone	237.3
2-pentanone	149.18
anisole	135.02
cyclopentyl methyl ether	124.89
gamma-butyrolactone	262.8
1-methoxy-2-propanol	237.21
pyridine	176.22
3-pentanone	96.52
furfural	292.4
n-dodecane	1.38
diethylene glycol	167.19
diisopropyl ether	23.73
tert-amyl alcohol	155.6
acetylacetone	150.22
n-hexadecane	1.57
acetophenone	123.66
methyl propionate	135.76
isopentyl acetate	81.16
trichloroethylene	387.59
n-nonanol	39.15
cyclohexanol	88.18
benzyl alcohol	115.61
2-ethylhexanol	50.06
isooctanol	29.73
dipropyl ether	39.34
1,2-dichlorobenzene	81.03
ethyl lactate	74.21
propylene carbonate	171.36
n-methylformamide	269.71
2-pentanol	99.96
n-pentane	6.61
1-propoxy-2-propanol	118.34
1-methoxy-2-propyl acetate	112.94
2-(2-methoxypropoxy) propanol	125.9
mesitylene	24.51
ε-caprolactone	165.03
p-cymene	22.82
epichlorohydrin	315.28
1,1,1-trichloroethane	112.9
2-aminoethanol	137.22
morpholine-4-carbaldehyde	317.61
sulfolane	296.9
2,2,4-trimethylpentane	4.76
2-methyltetrahydrofuran	207.72
n-hexyl acetate	88.92
isooctane	3.38
2-(2-butoxyethoxy)ethanol	162.1
sec-butyl acetate	62.45
tert-butyl acetate	86.87
decalin	5.91
glycerin	140.43
diglyme	268.54
acrylic acid	167.07
isopropyl myristate	28.2
n-butyric acid	151.17
acetyl acetate	86.15
di(2-ethylhexyl) phthalate	40.88
ethyl propionate	89.1
nitromethane	397.49
1,2-diethoxyethane	98.83
benzonitrile	121.69
trioctyl phosphate	27.24
1-bromopropane	81.79
gamma-valerolactone	280.78
n-decanol	27.35
triethyl phosphate	44.68
4-methyl-2-pentanol	56.57
propionitrile	123.7
vinylene carbonate	157.84
1,1,2-trichlorotrifluoroethane	274.03
DMS	95.96
cumene	28.97
2-octanol	24.97
2-hexanone	103.98
octyl acetate	40.97
limonene	30.59
1,2-dimethoxyethane	232.52
ethyl orthosilicate	38.69
tributyl phosphate	37.26
diacetone alcohol	154.99
N,N-dimethylaniline	91.89
acrylonitrile	178.21
aniline	115.6
1,3-propanediol	164.65
bromobenzene	66.39
dibromomethane	161.16
1,1,2,2-tetrachloroethane	260.93
2-methyl-cyclohexyl acetate	64.79
tetrabutyl urea	50.19
diisobutyl methanol	26.15
2-phenylethanol	96.78
styrene	51.04
dioctyl adipate	53.07
dimethyl sulfate	138.53
ethyl butyrate	72.56
methyl lactate	110.62
butyl lactate	63.86
diethyl carbonate	60.98
propanediol butyl ether	127.96
triethyl orthoformate	49.38
p-tert-butyltoluene	21.87
methyl 4-tert-butylbenzoate	83.99
morpholine	236.34
tert-butylamine	86.47
n-dodecanol	18.84
dimethoxymethane	223.57
ethylene carbonate	109.92
cyrene	136.33
2-ethoxyethyl acetate	92.26
2-ethylhexyl acetate	60.18
1,2,4-trichlorobenzene	105.85
4-methylpyridine	200.09
dibutyl ether	38.07
2,6-dimethyl-4-heptanol	26.15
DEF	177.52
dimethyl isosorbide	177.89
tetrachloroethylene	129.56
eugenol	98.65
triacetin	102.2
span 80	88.4
1,4-butanediol	70.37
1,1-dichloroethane	155.24
2-methyl-1-pentanol	98.69
methyl formate	196.9
2-methyl-1-butanol	118.97
n-decane	2.42
butyronitrile	132.31
3,7-dimethyl-1-octanol	50.11
1-chlorooctane	18.75
1-chlorotetradecane	6.35
n-nonane	2.17
undecane	1.77
tert-butylcyclohexane	5.94
cyclooctane	2.14
cyclopentanol	107.38
tetrahydropyran	128.54
tert-amyl methyl ether	90.35
2,5,8-trioxanonane	173.92
1-hexene	36.31
2-isopropoxyethanol	119.77
2,2,2-trifluoroethanol	106.62
methyl butyrate	126.66

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